
 CHEMBL1956989

 57 60  0  0  0  0  0  0  0  0999 V2000
    1.3720    0.6229    1.9671 C   0  0  0  0  0
    2.6759    0.5175    1.2076 C   0  0  0  0  0
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    8.4394    1.1461    2.0333 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
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  3  4  1  0  0  0
  4  9  1  0  0  0
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  5  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1956989

>  <PubChem CID>
57401798

>  <Formula>
C23H27FN4O2

>  <Molecular Weight>
410.493000

>  <IUPAC Name>
6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=NC=C(C=C2C(=O)N1CC3CCCN(C3)C(C)C)OC4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC1=NC2=NC=C(C=C2C(=O)N1C[C@H]3CCCN(C3)C(C)C)OC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C23H27FN4O2/c1-15(2)27-10-4-5-17(13-27)14-28-16(3)26-22-21(23(28)29)11-20(12-25-22)30-19-8-6-18(24)7-9-19/h6-9,11-12,15,17H,4-5,10,13-14H2,1-3H3/t17-/m0/s1

>  <InChI Key>
AZYIPQZUIGVQDL-KRWDZBQOSA-N

